2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol

C15H24BrNO2 — CID 15820904

IUPAC2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(O)c(OCN)c(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-14(2,3)8-15(4,5)10-6-11(16)13(19-9-17)12(18)7-10/h6-7,18H,8-9,17H2,1-5H3
InChIKeyMLGHZSKBJYIVBG-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.16
Rot. Bonds4

About 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol

2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 15820904) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID15820904
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(O)c(OCN)c(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-14(2,3)8-15(4,5)10-6-11(16)13(19-9-17)12(18)7-10/h6-7,18H,8-9,17H2,1-5H3
InChIKeyMLGHZSKBJYIVBG-UHFFFAOYSA-N
XLogP4.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol (CID 15820904) is 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(O)c(OCN)c(Br)c1.
What is the InChIKey of 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is MLGHZSKBJYIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-14(2,3)8-15(4,5)10-6-11(16)13(19-9-17)12(18)7-10/h6-7,18H,8-9,17H2,1-5H3.
What are the key properties of 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol?
2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 330.27 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethoxy)-3-bromo-5-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 15820904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).